2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)ethanenitrile

Systemtic Name: 2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)ethanenitrile Openeye Name: 2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetonitrile CAS Name: 2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetonitrile IUPAC Name: 2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetonitrile Traditional Name: 2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetonitrile Formula: C13H10N2S MolecularWeight: 226.2969

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)N=C(S2)CC#N

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)N=C(S2)CC#N

InChI

InChI=1S/C13H10N2S/c14-8-7-12-15-13-10-4-2-1-3-9(10)5-6-11(13)16-12/h1-4H,5-7H2